Jacob D. Durrant
Orcid: 0000-0002-5808-4097
According to our database1,
Jacob D. Durrant
authored at least 27 papers
between 2010 and 2022.
Collaborative distances:
Collaborative distances:
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Bibliography
2022
Novel mutation in hexokinase 2 confers resistance to 2-deoxyglucose by altering protein dynamics.
PLoS Comput. Biol., 2022
J. Chem. Inf. Model., 2022
Prot2Prot: a deep learning model for rapid, photorealistic macromolecular visualization.
J. Comput. Aided Mol. Des., 2022
2021
J. Chem. Inf. Model., 2021
2020
PLoS Comput. Biol., 2020
AutoGrow4: an open-source genetic algorithm for de novo drug design and lead optimization.
J. Cheminformatics, 2020
J. Cheminformatics, 2020
Webina: an open-source library and web app that runs AutoDock Vina entirely in the web browser.
Bioinform., 2020
2019
PCAViz: An Open-Source Python/JavaScript Toolkit for Visualizing Molecular Dynamics Simulations in the Web Browser.
J. Chem. Inf. Model., 2019
Gypsum-DL: an open-source program for preparing small-molecule libraries for structure-based virtual screening.
J. Cheminformatics, 2019
Dimorphite-DL: an open-source program for enumerating the ionization states of drug-like small molecules.
J. Cheminformatics, 2019
2018
Two inhibitors of yeast plasma membrane ATPase 1 (ScPma1p): toward the development of novel antifungal therapies.
J. Cheminformatics, 2018
Pyrite: A blender plugin for visualizing molecular dynamics simulations using industry-standard rendering techniques.
J. Comput. Chem., 2018
2017
2015
A Virtual Screening Approach For Identifying Plants with Anti H5N1 Neuraminidase Activity.
J. Chem. Inf. Model., 2015
Neural-Network Scoring Functions Identify Structurally Novel Estrogen-Receptor Ligands.
J. Chem. Inf. Model., 2015
2014
LipidWrapper: An Algorithm for Generating Large-Scale Membrane Models of Arbitrary Geometry.
PLoS Comput. Biol., 2014
WebChem Viewer: a tool for the easy dissemination of chemical and structural data sets.
BMC Bioinform., 2014
2013
Comparing Neural-Network Scoring Functions and the State of the Art: Applications to Common Library Screening.
J. Chem. Inf. Model., 2013
2012
2011
J. Chem. Inf. Model., 2011
J. Chem. Inf. Model., 2011
2010
A Multidimensional Strategy to Detect Polypharmacological Targets in the Absence of Structural and Sequence Homology.
PLoS Comput. Biol., 2010
NNScore: A Neural-Network-Based Scoring Function for the Characterization of Protein-Ligand Complexes.
J. Chem. Inf. Model., 2010
Potential drug-like inhibitors of Group 1 influenza neuraminidase identified through computer-aided drug design.
Comput. Biol. Chem., 2010